U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23ClO5
Molecular Weight 390.857
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of SCLEROTIORIN

SMILES

CC[C@H](C)\C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CO1

InChI

InChIKey=SWJLTKXURNHVHE-UPWXJBBJSA-N
InChI=1S/C21H23ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)19(24)21(5,27-14(4)23)20(25)18(16)22/h7-12H,6H2,1-5H3/b8-7+,13-9+/t12-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H23ClO5
Molecular Weight 390.857
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:50:11 GMT 2023
Edited
by admin
on Sat Dec 16 12:50:11 GMT 2023
Record UNII
BA54VZ8Z50
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SCLEROTIORIN
Common Name English
(7R)-7-(ACETYLOXY)-5-CHLORO-3-((1E,3E,5S)-3,5-DIMETHYL-1,3-HEPTADIEN-1-YL)-7-METHYL-6H-2-BENZOPYRAN-6,8(7H)-DIONE
Systematic Name English
6H-2-BENZOPYRAN-6,8(7H)-DIONE, 7-(ACETYLOXY)-5-CHLORO-3-((1E,3E,5S)-3,5-DIMETHYL-1,3-HEPTADIEN-1-YL)-7-METHYL-, (7R)-
Systematic Name English
(+)-SCLEROTIORIN
Common Name English
Code System Code Type Description
PUBCHEM
6436015
Created by admin on Sat Dec 16 12:50:11 GMT 2023 , Edited by admin on Sat Dec 16 12:50:11 GMT 2023
PRIMARY
CAS
549-23-5
Created by admin on Sat Dec 16 12:50:11 GMT 2023 , Edited by admin on Sat Dec 16 12:50:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID101043739
Created by admin on Sat Dec 16 12:50:11 GMT 2023 , Edited by admin on Sat Dec 16 12:50:11 GMT 2023
PRIMARY
FDA UNII
BA54VZ8Z50
Created by admin on Sat Dec 16 12:50:11 GMT 2023 , Edited by admin on Sat Dec 16 12:50:11 GMT 2023
PRIMARY
WIKIPEDIA
Sclerotiorin
Created by admin on Sat Dec 16 12:50:11 GMT 2023 , Edited by admin on Sat Dec 16 12:50:11 GMT 2023
PRIMARY